S697-0872 Screening compound: 3-(1-{[1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperidin-4-yl]methyl}-5-methyl-1H-imidazol-2-yl)pyridine

S697-0872 Screening compound: 3-(1-{[1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperidin-4-yl]methyl}-5-methyl-1H-imidazol-2-yl)pyridine
S697-0872 Screening compound: 3-(1-{[1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperidin-4-yl]methyl}-5-methyl-1H-imidazol-2-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S697-0872
3-(1-{[1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperidin-4-yl]methyl}-5-methyl-1H-imidazol-2-yl)pyridine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S697-0872

Molecular Formula

C24H26N4O3 (C24 H26 N4 O3)

Compound Name

3-(1-{[1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperidin-4-yl]methyl}-5-methyl-1H-imidazol-2-yl)pyridine

IUPAC name

3-(1-{[1-(23-dihydro-14-benzodioxine-2-carbonyl)piperidin-4-yl]methyl}-5-methyl-1H-imidazol-2-yl)pyridine

SMILES

Cc1cnc(-c2cnccc2)n1CC(CC1)CCN1C(C1Oc(cccc2)c2OC1)=O

InChI

InChI=1S/C24H26N4O3/c1-17-13-26-23(19-5-4-10-25-14-19)28(17)15-18-8-11-27(12-9-18)24(29)22-16-30-20-6-2-3-7-21(20)31-22/h2-7,10,13-14,18,22H,8-9,11-12,15-16H2,1H3/t22-/m0/s1

InChI Key

CUSKZFSPWYXDGB-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD31983989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.891

Distribution Coefficient, logD

2.688

Water Solubility, LogSw

-2.81

Polar Surface Area

52.755

Acid Dissociation Constant (pKa)

22.63

Base Dissociation Constant (pKb)

7.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

S697-0872 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S697-0872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S697-0872?
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What is the minimum amount of S697-0872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S697-0872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S697-0872
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S697-0872 available by request